IZCMUJXZLPDKHJ-HHNRXJBKSA-N

Name: IZCMUJXZLPDKHJ-HHNRXJBKSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₂H₃₅F₃N₆O — CID 155324543

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[3-[5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

SMILESC[C@@H]1C[C@H](C)CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1

InChIInChI=1S/C32H35F3N6O/c1-20-7-21(2)16-40(15-20)17-22-8-26-27(28(9-22)32(33,34)35)18-41(30(26)42)25-6-4-5-24(10-25)31(11-23(12-31)14-36)13-29-38-37-19-39(29)3/h4-6,8-10,19-21,23H,7,11-13,15-18H2,1-3H3/t20-,21+,23?,31?

InChIKeyIZCMUJXZLPDKHJ-NPNCEPADSA-N

MW576.67 g/mol

LogP5.89

Rot. Bonds6

About IZCMUJXZLPDKHJ-HHNRXJBKSA-N

IZCMUJXZLPDKHJ-HHNRXJBKSA-N (PubChem CID 155324543) has the molecular formula C₃₂H₃₅F₃N₆O and a molecular weight of 576.67 g/mol. Its IUPAC name is 3-[3-[5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name	IZCMUJXZLPDKHJ-HHNRXJBKSA-N
PubChem CID	155324543
Molecular Formula	C₃₂H₃₅F₃N₆O
Molecular Weight	576.67 g/mol
Exact Mass	576.28
IUPAC Name	3-[3-[5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILES	C[C@@H]1C[C@H](C)CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1
InChI	InChI=1S/C32H35F3N6O/c1-20-7-21(2)16-40(15-20)17-22-8-26-27(28(9-22)32(33,34)35)18-41(30(26)42)25-6-4-5-24(10-25)31(11-23(12-31)14-36)13-29-38-37-19-39(29)3/h4-6,8-10,19-21,23H,7,11-13,15-18H2,1-3H3/t20-,21+,23?,31?
InChIKey	IZCMUJXZLPDKHJ-NPNCEPADSA-N
XLogP	5.89
TPSA	78.05 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of IZCMUJXZLPDKHJ-HHNRXJBKSA-N?

The IUPAC name of IZCMUJXZLPDKHJ-HHNRXJBKSA-N (CID 155324543) is 3-[3-[5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

What is the SMILES notation for IZCMUJXZLPDKHJ-HHNRXJBKSA-N?

The canonical SMILES for IZCMUJXZLPDKHJ-HHNRXJBKSA-N is C[C@@H]1C[C@H](C)CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.

What is the InChIKey of IZCMUJXZLPDKHJ-HHNRXJBKSA-N?

The InChIKey is IZCMUJXZLPDKHJ-NPNCEPADSA-N. The full InChI is InChI=1S/C32H35F3N6O/c1-20-7-21(2)16-40(15-20)17-22-8-26-27(28(9-22)32(33,34)35)18-41(30(26)42)25-6-4-5-24(10-25)31(11-23(12-31)14-36)13-29-38-37-19-39(29)3/h4-6,8-10,19-21,23H,7,11-13,15-18H2,1-3H3/t20-,21+,23?,31?.

What are the key properties of IZCMUJXZLPDKHJ-HHNRXJBKSA-N?

IZCMUJXZLPDKHJ-HHNRXJBKSA-N has a molecular weight of 576.67 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for IZCMUJXZLPDKHJ-HHNRXJBKSA-N is sourced from PubChem (CID 155324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155324543 — identifiers, structure, computed properties (public domain)

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